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Chemical / small molecule crystallography

Chemical / small molecule crystallography

Determine the three dimensional structure of molecules

IUCr Corporate associateSometimes referred to as small molecule crystallography, this technique employs single crystal X-ray diffraction (SXRD) to unambiguously determine the three dimensional structure of molecules. The technique involves the use of crystallography to study problems which are primarily of a chemical nature and provides accurate and precise measurements of molecular dimensions in a way that no other method can approach. Chemical crystallography may be applied to compounds of both chemical and biological interest, including: new synthetic chemicals, catalysts, pharmaceuticals, and natural products. A frequent use is the identification of natural products, or of the products of synthetic chemistry experiments; however, detailed molecular geometry, intermolecular interactions and absolute configuration can also be studied.

  • Crystal structure determination
  • Molecular structure and geometry
  • Absolute structure and configuration
  • Single crystal diffraction
  • Powder diffraction,
    • Ambient and non-ambient conditions
    • Displacement parameters
    • Charge density
    • Intermolecular interactions
    • Structure correlation